CID 215243

Brn 1252586

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1CCN(CC1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C18H17NO2/c20-15-12-17(19-10-4-1-5-11-19)21-16-9-8-13-6-2-3-7-14(13)18(15)16/h2-3,6-9,12H,1,4-5,10-11H2
InChIKey
CCGRRAZKPQCUGY-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.12592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 162.7
[M+Na]+ 302.11514 180.4
[M+NH4]+ 297.15974 172.9
[M+K]+ 318.08908 171.0
[M-H]- 278.11864 170.2
[M+Na-2H]- 300.10059 171.7
[M]+ 279.12537 167.7
[M]- 279.12647 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe